CONFLIST PRO        PROBK PRO01

NATOM    PROBK      5
NATOM    PRO01      9

IATOM    PROBK  N   0
IATOM    PROBK  CA  1
IATOM    PROBK  HA  2
IATOM    PROBK  C   3
IATOM    PROBK  O   4
IATOM    PRO01  CB  0
IATOM    PRO01 1HB  1
IATOM    PRO01 2HB  2
IATOM    PRO01  CG  3
IATOM    PRO01 1HG  4
IATOM    PRO01 2HG  5
IATOM    PRO01  CD  6
IATOM    PRO01 1HD  7
IATOM    PRO01 2HD  8

ATOMNAME PROBK    0  N  
ATOMNAME PROBK    1  CA 
ATOMNAME PROBK    2  HA 
ATOMNAME PROBK    3  C  
ATOMNAME PROBK    4  O  
ATOMNAME PRO01    0  CB 
ATOMNAME PRO01    1 1HB 
ATOMNAME PRO01    2 2HB 
ATOMNAME PRO01    3  CG 
ATOMNAME PRO01    4 1HG 
ATOMNAME PRO01    5 2HG 
ATOMNAME PRO01    6  CD
ATOMNAME PRO01    7 1HD
ATOMNAME PRO01    8 2HD






#1.Basic Conformer Information: name, pka, em, rxn.
#23456789A123456789B123456789C
PROTON   PRO01      0
PKA      PRO01      0.0
ELECTRON PRO01      0
EM       PRO01      0.0
RXN      PRO01      0.0

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
CONNECT  PROBK  N   sp2       -1    C   0     CA  0     CD
CONNECT  PROBK  CA  sp3       0     N   0     C   0     CB  0     HA
CONNECT  PROBK  HA  s         0     CA
CONNECT  PROBK  C   sp2       0     CA  0     O   1     N
CONNECT  PROBK  O   s         0     C
CONNECT  PRO01  CB  sp3       0     CA  0     CG  0    1HB  0    2HB
CONNECT  PRO01 1HB  s         0     CB
CONNECT  PRO01 2HB  s         0     CB
CONNECT  PRO01  CG  sp3       0     CB  0     CD  0    1HG  0    2HG
CONNECT  PRO01 1HG  s         0     CG
CONNECT  PRO01 2HG  s         0     CG
CONNECT  PRO01  CD  sp3       0     CG  0     N   0    1HD  0    2HD
CONNECT  PRO01 1HD  s         0     CD
CONNECT  PRO01 2HD  s         0     CD

#3.Atom Parameters: Partial Charges and Radii
CHARGE   PROBK N    -0.100
CHARGE   PROBK CA    0.100
CHARGE   PROBK C     0.550
CHARGE   PROBK O    -0.550

# Radii from "Bondi, J.Phys.Chem., 68, 441, 1964."
RADIUS   PRO    N   1.50
RADIUS   PRO    CA  2.00
RADIUS   PRO    HA  0.00
RADIUS   PRO    C   1.70
RADIUS   PRO    O   1.40
RADIUS   PRO    CB  2.00
RADIUS   PRO   1HB  0.00
RADIUS   PRO   2HB  0.00
RADIUS   PRO    CG  2.00
RADIUS   PRO   1HG  0.00
RADIUS   PRO   2HG  0.00
RADIUS   PRO    CD  2.00
RADIUS   PRO   1HD  2.00
RADIUS   PRO   2HD  2.00

#4.Rotomer


